Geometry & MOs

Info

ID:	391977
PubChem CID:	135011540
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	259.118399
ΔH_f, kcal/mol:	-18.21
Dipole, Da:	6.14
IP(EA), eV:	-8.47(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,5-trifluoro-4-[[(1R)-1-phenylethyl]amino]pentan-2-one

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CCC(=C2NCCN1)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations